2-(2-氯乙基)苯甲酸甲酯 | 65787-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-氯乙基)苯甲酸甲酯
• 英文名称: methyl 2-(2-chloroethyl)benzoate
• 英文别名: methyl 2-chloromethylmethylbenzoate；methyl 2-(2-chloroethyl)benzenecarboxylate
• CAS: 65787-71-5
• 化学式: C₁₀H₁₁ClO₂
• mdl: MFCD20624124
• 分子量: 198.649
• InChiKey: UDCAWLBAPUTXDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-氯乙基)苯甲酸甲酯 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 6.0h， 生成 methyl 2-iodomethyl-6-methylbenzoate
  参考文献：
  名称：

  Synthesis of 2-chloromethyl-6-methylbenzoic ester

  摘要：

  本发明提供了一种制备式(I)1化合物的方法，其中R为H，可选取卤代烷基、环烷基、芳基、烷基-芳基或杂环芳基，且在烷基和环烷基中，一个或多个CH2基可以被—O—所取代。式(I)化合物是合成PPAR激动剂的有价值的中间体。

  公开号：

  US20040192956A1
• 作为产物：
  描述：

  异色满 在 manganese(IV) oxide 、 potassium permanganate 、 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 21.5h， 生成 2-(2-氯乙基)苯甲酸甲酯
  参考文献：
  名称：

  Discovery and Pharmacological Profile of New 1H-Indazole-3-carboxamide and 2H-Pyrrolo[3,4-c]quinoline Derivatives as Selective Serotonin 4 Receptor Ligands

  摘要：

  Since the discovery of the serotonin 4 receptor (5-HT4R), a large number of receptor ligands have been studied. The safety concerns and the lack of market success of these ligands have mainly been attributed to their lack of selectivity. In this study we describe the discovery of N-[(4- piperidinyl)methyl]-1H-indazole-3-carboxamide and 4-[(4-piperidinyl)methoxy]-2H-pyrrolo[3,4-c]quinoline derivatives as new 5-HT4R ligands endowed with high selectivity over the serotonin 2A receptor and human ether-a-go-go-related gene potassium ion channel. Within these series, two molecules (11ab and 12g) were identified as potent and selective 5-HT4R antagonists with good in vitro pharmacokinetic properties. These compounds were evaluated for their antinociceptive action in two analgesia animal models. 12g showed a significant antinociceptive effect in both models and is proposed as an interesting lead compound as a 5-HT4R antagonist with analgesic action.

  DOI：

  10.1021/jm300573d

文献信息

• [EN] COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT<br/>[FR] COMPOSÉ PRÉSENTANT UNE ACTIVITÉ SÉROTONINERGIQUE, SON PROCÉDÉ DE FABRICATION ET COMPOSITION PHARMACEUTIQUE LA COMPRENANT
  申请人：ACRAF

  公开号：WO2010012611A1

  公开（公告）日：2010-02-04

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  化合物的化学式（I），其中R1、R2和R3在以下描述中定义，并其药学上可接受的酸加合物或碱加合物盐。本发明还涉及用于制备该化合物的过程和中间体，以及包含它的药物组合物。本发明还涉及使用一种新型2H-吡咯并[3,4-c]喹啉化合物制备对5-羟色胺系统紊乱治疗有效的药物组合物。
• COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT
  申请人：Alisi Maria Alessandra

  公开号：US20110160201A1

  公开（公告）日：2011-06-30

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  公式（I）的复合物，其中R1、R2和R3的定义如下所述，并且其药学上可接受的酸加成物或碱加成物盐。本发明还涉及一种制备它的过程和中间体，以及包含它的制药组合物。本发明还涉及使用一种新的2H-吡咯并[3,4-c]喹啉化合物制备具有治疗5-羟色胺系统紊乱活性的制药组合物。
• Compositions And Methods For Killing Insect And Non-Insect Pests
  申请人：The United States of America, as Represented by the Secretary of Agriculture

  公开号：US20190216084A1

  公开（公告）日：2019-07-18

  Compositions for killing insects (the term “insects” as used herein includes non-insects such as ticks, mites, spiders, centipedes, scorpions, chiggers, and solifugids), said composition containing at least one compound of formula 1 wherein R1 is CH 3 , C 2 H 5 , C 3 H 7 ; saturated or unsaturated, straight or branched, or halogen substituted alkyl; and wherein R2 are independently H, halogen, nitrogen, oxygen, sulfur, saturated or unsaturated, straight or branched alkyl, alkenyl, alkyl halide, aldehyde, ketone, ether, ester, amine, or amide; optionally methyl benzoate, optionally a surfactant, and optionally a carrier. Also disclosed are methods for killing insects, involving treating an object or area with an insect killing effective amount of the compositions, optionally methyl benzoate, optionally a surfactant, and optionally a carrier.
• METHODS FOR KILLING PESTS
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US20220183287A1

  公开（公告）日：2022-06-16

  The present disclosure provides methods for killing pests such as nematodes, oomycetes, and fungi, involving treating an object or area with an effective amount of a composition containing at least one compound of formula 1, wherein R1 is CH 3 , C 2 H 5 , C 3 H 7 ; saturated or unsaturated, straight or branched, or halogen substituted alkyl; and wherein R2 are independently H, halogen, nitrogen, oxygen, sulfur, saturated or unsaturated, straight or branched alkyl, alkenyl, alkyl halide, aldehyde, ketone, ether, ester, amine, or amide; optionally methyl benzoate, optionally a surfactant, and optionally a carrier.
• [EN] COMPOSITIONS AND METHODS FOR KILLING INSECT AND NON-INSECT PESTS<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR ÉLIMINER DES PARASITES INSECTES ET NON-INSECTES
  申请人：US AGRICULTURE

  公开号：WO2019143506A1

  公开（公告）日：2019-07-25

  Compositions for killing insects (the term "insects" as used herein includes non-insects such as ticks, mites, spiders, centipedes, scorpions, chiggers, and solifugids), said composition containing at least one compound of formula 1 wherein R1 is CH3, C2H5, C3H7; saturated or unsaturated, straight or branched, or halogen substituted alkyl; and wherein R2 are independently H, halogen, nitrogen, oxygen, sulfur, saturated or unsaturated, straight or branched alkyl, alkenyl, alkyl halide, aldehyde, ketone, ether, ester, amine, or amide; optionally methyl benzoate, optionally a surfactant, and optionally a carrier. Also disclosed are methods for killing insects, involving treating an object or area with an insect killing effective amount of the compositions, optionally methyl benzoate, optionally a surfactant, and optionally a carrier.